1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one

C19H20N2O3 — CID 3242483

IUPAC1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-2-19(23)14-7-9-16(10-8-14)24-12-15(22)11-21-13-20-17-5-3-4-6-18(17)21/h3-10,13,15,22H,2,11-12H2,1H3
InChIKeyYIGMVHQWYSYFGD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.07
Rot. Bonds7

About 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one

1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 3242483) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID3242483
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1
InChIInChI=1S/C19H20N2O3/c1-2-19(23)14-7-9-16(10-8-14)24-12-15(22)11-21-13-20-17-5-3-4-6-18(17)21/h3-10,13,15,22H,2,11-12H2,1H3
InChIKeyYIGMVHQWYSYFGD-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
1-[4-[6-(4-Propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]ethanone
CID 134179274
Ketone, 1-(2-(diethylamino)ethyl)-2-(p-ethoxybenzyl)-5-benzimidazolyl methyl
CID 25957
2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-
CID 3069764
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}-1-propanone hydrochloride
CID 2965954
1-{4-[2-(1H-benzimidazol-1-yl)ethoxy]phenyl}ethanone
CID 583208
(4-Ethoxyphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 628205
[1-[3-(4-Methylphenoxy)propyl]-2-benzimidazolyl]methanol
CID 2945948
KW-3635 free acid
CID 5311396
11-[2-(5-Methyl-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 9978044
11-[2-(6-Fluoro-benzoimidazol-1-yl)-ethylidene]-6,11-dihydro-dibenzo[b,e]oxepine-2-carboxylic acid
CID 10001037
(11Z)-11-[2-(5,6-dimethylbenzimidazol-1-yl)ethylidene]-6H-benzo[c][1]benzoxepine-2-carboxylic acid
CID 10047167

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one (CID 3242483) is 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is YIGMVHQWYSYFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-19(23)14-7-9-16(10-8-14)24-12-15(22)11-21-13-20-17-5-3-4-6-18(17)21/h3-10,13,15,22H,2,11-12H2,1H3.
What are the key properties of 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 324.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(benzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 3242483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).